N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide

C20H23N5O2 — CID 51369218

IUPACN-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC3(CC2)N=C(c2ccccn2)NO3)c1
InChIInChI=1S/C20H23N5O2/c1-15-5-4-6-16(13-15)22-18(26)14-25-11-8-20(9-12-25)23-19(24-27-20)17-7-2-3-10-21-17/h2-7,10,13H,8-9,11-12,14H2,1H3,(H,22,26)(H,23,24)
InChIKeyIPOTUPGPOUAZGO-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.10
Rot. Bonds4

About N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide

N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide (PubChem CID 51369218) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
PubChem CID51369218
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC3(CC2)N=C(c2ccccn2)NO3)c1
InChIInChI=1S/C20H23N5O2/c1-15-5-4-6-16(13-15)22-18(26)14-25-11-8-20(9-12-25)23-19(24-27-20)17-7-2-3-10-21-17/h2-7,10,13H,8-9,11-12,14H2,1H3,(H,22,26)(H,23,24)
InChIKeyIPOTUPGPOUAZGO-UHFFFAOYSA-N
XLogP2.10
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 51369219
N-(4-ethoxyphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 51369234
N-butyl-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 51369274
N-(3-methylphenyl)-2-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 68874135
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide
CID 91888876
2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 107161677
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide
CID 121116926
2-[3-(3-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methylphenyl)acetamide
CID 20962366
2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 166605762
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 34905400

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide (CID 51369218) is N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide is Cc1cccc(NC(=O)CN2CCC3(CC2)N=C(c2ccccn2)NO3)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide?
The InChIKey is IPOTUPGPOUAZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-15-5-4-6-16(13-15)22-18(26)14-25-11-8-20(9-12-25)23-19(24-27-20)17-7-2-3-10-21-17/h2-7,10,13H,8-9,11-12,14H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide?
N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide has a molecular weight of 365.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide is sourced from PubChem (CID 51369218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).